N-[2-[4-(3-chlorophenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]cyclohexanecarboxamide

Systemtic Name: N-[2-[4-(3-chlorophenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]cyclohexanecarboxamide Openeye Name: N-[2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]cyclohexanecarboxamide CAS Name: N-[2-[4-[(3-chlorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]cyclohexanecarboxamide IUPAC Name: N-[2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]cyclohexanecarboxamide Traditional Name: N-[2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]cyclohexanecarboxamide Formula: C30H38ClN5O3 MolecularWeight: 552.10742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C30H38ClN5O3/c31-25-9-4-8-23(20-25)29(38)35-15-5-14-34(18-19-35)27-11-10-24(30(39)36-16-12-32-13-17-36)21-26(27)33-28(37)22-6-2-1-3-7-22/h4,8-11,20-22,32H,1-3,5-7,12-19H2,(H,33,37)