3-azanyl-N-(4-azanylcyclohexyl)-4-[4-[2-(4-methoxyphenyl)ethanoyl]-1,4-diazepan-1-yl]benzamide

Systemtic Name: 3-azanyl-N-(4-azanylcyclohexyl)-4-[4-[2-(4-methoxyphenyl)ethanoyl]-1,4-diazepan-1-yl]benzamide Openeye Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]benzamide CAS Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-[2-(4-methoxyphenyl)-1-oxoethyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]benzamide Traditional Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]benzamide Formula: C27H37N5O3 MolecularWeight: 479.61438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)N

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)N

InChI

InChI=1S/C27H37N5O3/c1-35-23-10-3-19(4-11-23)17-26(33)32-14-2-13-31(15-16-32)25-12-5-20(18-24(25)29)27(34)30-22-8-6-21(28)7-9-22/h3-5,10-12,18,21-22H,2,6-9,13-17,28-29H2,1H3,(H,30,34)