N-[3-(2-acetamidoethylamino)-5-phenyl-phenyl]-2-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-[3-(2-acetamidoethylamino)-5-phenyl-phenyl]-2-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-[3-(2-acetamidoethylamino)-5-phenyl-phenyl]-2-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-[3-(2-acetamidoethylamino)-5-phenylphenyl]-2-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: N-[3-(2-acetamidoethylamino)-5-phenylphenyl]-2-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-[3-(2-acetamidoethylamino)-5-phenyl-phenyl]-2-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]acetamide Formula: C29H36N6O2 MolecularWeight: 500.63514

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=CC(=CC(=C1)NC(=O)CN2CCCN(CC2)CC3=CC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=CC(=CC(=C1)NC(=O)CN2CCCN(CC2)CC3=CC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C29H36N6O2/c1-23(36)30-12-13-32-27-18-25(24-8-3-2-4-9-24)19-28(20-27)33-29(37)22-35-15-7-14-34(16-17-35)21-26-10-5-6-11-31-26/h2-6,8-11,18-20,32H,7,12-17,21-22H2,1H3,(H,30,36)(H,33,37)