(phenylmethyl) 2-[4-(5-pyridin-2-ylthiophen-2-yl)carbonyl-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(5-pyridin-2-ylthiophen-2-yl)carbonyl-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-[5-(2-pyridyl)thiophene-2-carbonyl]-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[oxo-[5-(2-pyridinyl)-2-thiophenyl]methyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(5-pyridin-2-ylthiophene-2-carbonyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-[5-(2-pyridyl)thiophene-2-carbonyl]-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=C(S2)C3=CC=CC=N3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=C(S2)C3=CC=CC=N3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O3S/c28-23(30-18-19-7-2-1-3-8-19)17-26-13-6-14-27(16-15-26)24(29)22-11-10-21(31-22)20-9-4-5-12-25-20/h1-5,7-12H,6,13-18H2