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

Systemtic Name: N-[4-[bis(pyridin-4-ylmethyl)amino]but-2-ynyl]-3,3-diphenyl-propanamide Openeye Name: N-[4-[bis(4-pyridylmethyl)amino]but-2-ynyl]-3,3-diphenyl-propanamide CAS Name: N-[4-[bis(pyridin-4-ylmethyl)amino]but-2-ynyl]-3,3-diphenylpropanamide IUPAC Name: N-[4-[bis(pyridin-4-ylmethyl)amino]but-2-ynyl]-3,3-diphenylpropanamide Traditional Name: N-[4-[bis(4-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=CC=NC=C2)CC3=CC=NC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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