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

Systemtic Name: 2-phenyl-N-[6-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]ethanamide Openeye Name: 2-phenyl-N-[6-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]acetamide CAS Name: 2-phenyl-N-[6-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]acetamide IUPAC Name: 2-phenyl-N-[6-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]acetamide Traditional Name: 2-phenyl-N-[6-[4-(4-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=CC=NC=C4

Isomeric SMILES

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

InChI

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