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

Systemtic Name: N-[1-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-4-methoxy-benzamide Openeye Name: N-[1-[4-[(4-cyanophenyl)methyl]-1,4-diazepane-1-carbonyl]-2-methyl-propyl]-4-methoxy-benzamide CAS Name: N-[1-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide IUPAC Name: N-[1-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide Traditional Name: N-[1-[4-(4-cyanobenzyl)-1,4-diazepane-1-carbonyl]-2-methyl-propyl]-4-methoxy-benzamide Formula: C26H32N4O3 MolecularWeight: 448.55728

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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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O3/c1-19(2)24(28-25(31)22-9-11-23(33-3)12-10-22)26(32)30-14-4-13-29(15-16-30)18-21-7-5-20(17-27)6-8-21/h5-12,19,24H,4,13-16,18H2,1-3H3,(H,28,31)