2-phenyl-N-[6-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]ethanamide

Systemtic Name: 2-phenyl-N-[6-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]ethanamide Openeye Name: 2-phenyl-N-[6-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]acetamide CAS Name: 2-phenyl-N-[6-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]acetamide IUPAC Name: 2-phenyl-N-[6-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]acetamide Traditional Name: 2-phenyl-N-[6-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]acetamide Formula: C24H27N5O MolecularWeight: 401.50408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=C(C=C2)NC(=O)CC3=CC=CC=C3)CC4=CN=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C2=NC=C(C=C2)NC(=O)CC3=CC=CC=C3)CC4=CN=CC=C4

InChI

InChI=1S/C24H27N5O/c30-24(16-20-6-2-1-3-7-20)27-22-9-10-23(26-18-22)29-13-5-12-28(14-15-29)19-21-8-4-11-25-17-21/h1-4,6-11,17-18H,5,12-16,19H2,(H,27,30)