(phenylmethyl) 2-[4-[1-(phenylcarbonyl)piperidin-4-yl]carbonyl-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-[1-(phenylcarbonyl)piperidin-4-yl]carbonyl-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(1-benzoylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[(1-benzoyl-4-piperidinyl)-oxomethyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(1-benzoylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(1-benzoylisonipecotoyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O4/c31-25(34-21-22-8-3-1-4-9-22)20-28-14-7-15-29(19-18-28)27(33)24-12-16-30(17-13-24)26(32)23-10-5-2-6-11-23/h1-6,8-11,24H,7,12-21H2