4-azanyl-N-[1,4-bis(phenylmethyl)-1,4-diazepan-6-yl]-5-chloranyl-2-ethoxy-benzamide

Systemtic Name: 4-azanyl-N-[1,4-bis(phenylmethyl)-1,4-diazepan-6-yl]-5-chloranyl-2-ethoxy-benzamide Openeye Name: 4-amino-5-chloro-N-(1,4-dibenzyl-1,4-diazepan-6-yl)-2-ethoxy-benzamide CAS Name: 4-amino-N-[1,4-bis(phenylmethyl)-1,4-diazepan-6-yl]-5-chloro-2-ethoxybenzamide IUPAC Name: 4-amino-5-chloro-N-(1,4-dibenzyl-1,4-diazepan-6-yl)-2-ethoxybenzamide Traditional Name: 4-amino-5-chloro-N-(1,4-dibenzyl-1,4-diazepan-6-yl)-2-ethoxy-benzamide Formula: C28H33ClN4O2 MolecularWeight: 493.04022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C(=O)NC2CN(CCN(C2)CC3=CC=CC=C3)CC4=CC=CC=C4)Cl)N

Isomeric SMILES

CCOC1=CC(=C(C=C1C(=O)NC2CN(CCN(C2)CC3=CC=CC=C3)CC4=CC=CC=C4)Cl)N

InChI

InChI=1S/C28H33ClN4O2/c1-2-35-27-16-26(30)25(29)15-24(27)28(34)31-23-19-32(17-21-9-5-3-6-10-21)13-14-33(20-23)18-22-11-7-4-8-12-22/h3-12,15-16,23H,2,13-14,17-20,30H2,1H3,(H,31,34)