2-[2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]ethanoylamino]-N-cyclopentyl-benzamide

Systemtic Name: 2-[2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]ethanoylamino]-N-cyclopentyl-benzamide Openeye Name: 2-[[2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetyl]amino]-N-cyclopentyl-benzamide CAS Name: 2-[[2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-1-oxoethyl]amino]-N-cyclopentylbenzamide IUPAC Name: 2-[[2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetyl]amino]-N-cyclopentylbenzamide Traditional Name: 2-[[2-[4-(4-cyanobenzyl)-1,4-diazepan-1-yl]acetyl]amino]-N-cyclopentyl-benzamide Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC=CC=C2NC(=O)CN3CCCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC=CC=C2NC(=O)CN3CCCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H33N5O2/c28-18-21-10-12-22(13-11-21)19-31-14-5-15-32(17-16-31)20-26(33)30-25-9-4-3-8-24(25)27(34)29-23-6-1-2-7-23/h3-4,8-13,23H,1-2,5-7,14-17,19-20H2,(H,29,34)(H,30,33)