4-[1-azanyl-3-oxidanylidene-3-[[1-(phenylmethyl)piperidin-4-yl]amino]propyl]-N-pyridin-4-yl-benzamide

Systemtic Name: 4-[1-azanyl-3-oxidanylidene-3-[[1-(phenylmethyl)piperidin-4-yl]amino]propyl]-N-pyridin-4-yl-benzamide Openeye Name: 4-[1-amino-3-[(1-benzyl-4-piperidyl)amino]-3-oxo-propyl]-N-(4-pyridyl)benzamide CAS Name: 4-[1-amino-3-oxo-3-[[1-(phenylmethyl)-4-piperidinyl]amino]propyl]-N-pyridin-4-ylbenzamide IUPAC Name: 4-[1-amino-3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-N-pyridin-4-ylbenzamide Traditional Name: 4-[1-amino-3-[(1-benzyl-4-piperidyl)amino]-3-keto-propyl]-N-(4-pyridyl)benzamide Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)CC(C2=CC=C(C=C2)C(=O)NC3=CC=NC=C3)N)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1NC(=O)CC(C2=CC=C(C=C2)C(=O)NC3=CC=NC=C3)N)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N5O2/c28-25(21-6-8-22(9-7-21)27(34)31-23-10-14-29-15-11-23)18-26(33)30-24-12-16-32(17-13-24)19-20-4-2-1-3-5-20/h1-11,14-15,24-25H,12-13,16-19,28H2,(H,30,33)(H,29,31,34)