N-[4-[bis(pyridin-3-ylmethyl)amino]but-2-ynyl]-3,3-diphenyl-propanamide

Systemtic Name: N-[4-[bis(pyridin-3-ylmethyl)amino]but-2-ynyl]-3,3-diphenyl-propanamide Openeye Name: N-[4-[bis(3-pyridylmethyl)amino]but-2-ynyl]-3,3-diphenyl-propanamide CAS Name: N-[4-[bis(3-pyridinylmethyl)amino]but-2-ynyl]-3,3-diphenylpropanamide IUPAC Name: N-[4-[bis(pyridin-3-ylmethyl)amino]but-2-ynyl]-3,3-diphenylpropanamide Traditional Name: N-[4-[bis(3-pyridylmethyl)amino]but-2-ynyl]-3,3-diphenyl-propionamide Formula: C31H30N4O MolecularWeight: 474.5961

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)NCC#CCN(CC2=CN=CC=C2)CC3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)NCC#CCN(CC2=CN=CC=C2)CC3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H30N4O/c36-31(21-30(28-13-3-1-4-14-28)29-15-5-2-6-16-29)34-19-7-8-20-35(24-26-11-9-17-32-22-26)25-27-12-10-18-33-23-27/h1-6,9-18,22-23,30H,19-21,24-25H2,(H,34,36)