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

Systemtic Name: methyl N-[2-[4-(3-chlorophenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]carbamate Openeye Name: methyl N-[2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]carbamate CAS Name: N-[2-[4-[(3-chlorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]carbamate Traditional Name: N-[2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]carbamic acid methyl ester Formula: C25H30ClN5O4 MolecularWeight: 499.9898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=CC(=C1)C(=O)N2CCNCC2)N3CCCN(CC3)C(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC(=O)NC1=C(C=CC(=C1)C(=O)N2CCNCC2)N3CCCN(CC3)C(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H30ClN5O4/c1-35-25(34)28-21-17-19(24(33)31-12-8-27-9-13-31)6-7-22(21)29-10-3-11-30(15-14-29)23(32)18-4-2-5-20(26)16-18/h2,4-7,16-17,27H,3,8-15H2,1H3,(H,28,34)