4-[(2E)-2-[5-oxidanylidene-1-[[1-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperidin-4-yl]methyl]-4,4-bis(pyridin-4-ylmethyl)imidazolidin-2-ylidene]ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[(2E)-2-[5-oxidanylidene-1-[[1-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperidin-4-yl]methyl]-4,4-bis(pyridin-4-ylmethyl)imidazolidin-2-ylidene]ethanoyl]benzenecarbonitrile Openeye Name: 4-[(2E)-2-[5-oxo-1-[[1-(1-phenyltetrazol-5-yl)-4-piperidyl]methyl]-4,4-bis(4-pyridylmethyl)imidazolidin-2-ylidene]acetyl]benzonitrile CAS Name: 4-[(2E)-1-oxo-2-[5-oxo-1-[[1-(1-phenyl-5-tetrazolyl)-4-piperidinyl]methyl]-4,4-bis(pyridin-4-ylmethyl)-2-imidazolidinylidene]ethyl]benzonitrile IUPAC Name: 4-[(2E)-2-[5-oxo-1-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]-4,4-bis(pyridin-4-ylmethyl)imidazolidin-2-ylidene]acetyl]benzonitrile Traditional Name: 4-[(2E)-2-[5-keto-1-[[1-(1-phenyltetrazol-5-yl)-4-piperidyl]methyl]-4,4-bis(4-pyridylmethyl)imidazolidin-2-ylidene]acetyl]benzonitrile Formula: C37H34N10O2 MolecularWeight: 650.73166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C(=CC(=O)C3=CC=C(C=C3)C#N)NC(C2=O)(CC4=CC=NC=C4)CC5=CC=NC=C5)C6=NN=NN6C7=CC=CC=C7

Isomeric SMILES

C1CN(CCC1CN2/C(=C/C(=O)C3=CC=C(C=C3)C#N)/NC(C2=O)(CC4=CC=NC=C4)CC5=CC=NC=C5)C6=NN=NN6C7=CC=CC=C7

InChI

InChI=1S/C37H34N10O2/c38-25-29-6-8-31(9-7-29)33(48)22-34-41-37(23-27-10-16-39-17-11-27,24-28-12-18-40-19-13-28)35(49)46(34)26-30-14-20-45(21-15-30)36-42-43-44-47(36)32-4-2-1-3-5-32/h1-13,16-19,22,30,41H,14-15,20-21,23-24,26H2/b34-22+