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

Systemtic Name: N-[2-[4-(4-tert-butylphenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-2-(4-methoxyphenyl)ethanamide Openeye Name: N-[2-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-2-(4-methoxyphenyl)acetamide CAS Name: N-[2-[4-[(4-tert-butylphenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]-2-(4-methoxyphenyl)acetamide IUPAC Name: N-[2-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-2-(4-methoxyphenyl)acetamide Traditional Name: N-[2-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-2-(4-methoxyphenyl)acetamide Formula: C36H45N5O4 MolecularWeight: 611.7736

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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=C(C=C5)OC

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=C(C=C5)OC

InChI

InChI=1S/C36H45N5O4/c1-36(2,3)29-11-8-27(9-12-29)34(43)40-19-5-18-39(22-23-40)32-15-10-28(35(44)41-20-16-37-17-21-41)25-31(32)38-33(42)24-26-6-13-30(45-4)14-7-26/h6-15,25,37H,5,16-24H2,1-4H3,(H,38,42)