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

Systemtic Name: methyl N-[2-[4-(2-phenylethanoyl)-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]carbamate Openeye Name: methyl N-[2-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]carbamate CAS Name: N-[2-[4-(1-oxo-2-phenylethyl)-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]carbamate Traditional Name: N-[2-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]carbamic acid methyl ester Formula: C26H33N5O4 MolecularWeight: 479.57132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=CC(=C1)C(=O)N2CCNCC2)N3CCCN(CC3)C(=O)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)NC1=C(C=CC(=C1)C(=O)N2CCNCC2)N3CCCN(CC3)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H33N5O4/c1-35-26(34)28-22-19-21(25(33)31-14-10-27-11-15-31)8-9-23(22)29-12-5-13-30(17-16-29)24(32)18-20-6-3-2-4-7-20/h2-4,6-9,19,27H,5,10-18H2,1H3,(H,28,34)