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

Systemtic Name: N-[2-[4-(4-tert-butylphenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-2-phenyl-ethanamide Openeye Name: N-[2-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-2-phenyl-acetamide CAS Name: N-[2-[4-[(4-tert-butylphenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]-2-phenylacetamide IUPAC Name: N-[2-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-2-phenylacetamide Traditional Name: N-[2-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-2-phenyl-acetamide Formula: C35H43N5O3 MolecularWeight: 581.74762

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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)CC5=CC=CC=C5

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)CC5=CC=CC=C5

InChI

InChI=1S/C35H43N5O3/c1-35(2,3)29-13-10-27(11-14-29)33(42)39-19-7-18-38(22-23-39)31-15-12-28(34(43)40-20-16-36-17-21-40)25-30(31)37-32(41)24-26-8-5-4-6-9-26/h4-6,8-15,25,36H,7,16-24H2,1-3H3,(H,37,41)