4-cyano-N-[2-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]benzamide

Systemtic Name: 4-cyano-N-[2-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]benzamide Openeye Name: 4-cyano-N-[2-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide CAS Name: 4-cyano-N-[2-[4-(3,3-dimethyl-1-oxobutyl)-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]benzamide IUPAC Name: 4-cyano-N-[2-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide Traditional Name: 4-cyano-N-[2-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide Formula: C30H38N6O3 MolecularWeight: 530.66112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCNCC3)NC(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C)(C)CC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCNCC3)NC(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C30H38N6O3/c1-30(2,3)20-27(37)35-14-4-13-34(17-18-35)26-10-9-24(29(39)36-15-11-32-12-16-36)19-25(26)33-28(38)23-7-5-22(21-31)6-8-23/h5-10,19,32H,4,11-18,20H2,1-3H3,(H,33,38)