3-(4-cyanophenyl)-4-methyl-N-[6-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide

Systemtic Name: 3-(4-cyanophenyl)-4-methyl-N-[6-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: 3-(4-cyanophenyl)-4-methyl-N-[6-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide CAS Name: 3-(4-cyanophenyl)-4-methyl-N-[6-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide IUPAC Name: 3-(4-cyanophenyl)-4-methyl-N-[6-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Traditional Name: 3-(4-cyanophenyl)-4-methyl-N-[6-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide Formula: C31H30N6O MolecularWeight: 502.6095

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=CC=NC=C4)C5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=CC=NC=C4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C31H30N6O/c1-23-3-6-27(19-29(23)26-7-4-24(20-32)5-8-26)31(38)35-28-9-10-30(34-21-28)37-16-2-15-36(17-18-37)22-25-11-13-33-14-12-25/h3-14,19,21H,2,15-18,22H2,1H3,(H,35,38)