N-[1-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[1-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-3,5-dimethoxy-benzamide Openeye Name: N-[1-[4-[(4-cyanophenyl)methyl]-1,4-diazepane-1-carbonyl]-2-methyl-propyl]-3,5-dimethoxy-benzamide CAS Name: N-[1-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide IUPAC Name: N-[1-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide Traditional Name: N-[1-[4-(4-cyanobenzyl)-1,4-diazepane-1-carbonyl]-2-methyl-propyl]-3,5-dimethoxy-benzamide Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCN(CC1)CC2=CC=C(C=C2)C#N)NC(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC(C)C(C(=O)N1CCCN(CC1)CC2=CC=C(C=C2)C#N)NC(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C27H34N4O4/c1-19(2)25(29-26(32)22-14-23(34-3)16-24(15-22)35-4)27(33)31-11-5-10-30(12-13-31)18-21-8-6-20(17-28)7-9-21/h6-9,14-16,19,25H,5,10-13,18H2,1-4H3,(H,29,32)