N-[2-[4-(4-tert-butylphenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-4-cyano-benzamide

Systemtic Name: N-[2-[4-(4-tert-butylphenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-4-cyano-benzamide Openeye Name: N-[2-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-4-cyano-benzamide CAS Name: N-[2-[4-[(4-tert-butylphenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]-4-cyanobenzamide IUPAC Name: N-[2-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-4-cyanobenzamide Traditional Name: N-[2-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-4-cyano-benzamide Formula: C35H40N6O3 MolecularWeight: 592.7305

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C35H40N6O3/c1-35(2,3)29-12-9-27(10-13-29)33(43)40-18-4-17-39(21-22-40)31-14-11-28(34(44)41-19-15-37-16-20-41)23-30(31)38-32(42)26-7-5-25(24-36)6-8-26/h5-14,23,37H,4,15-22H2,1-3H3,(H,38,42)