propan-2-yl 3-(phenylcarbonyl)-2-propyl-5,6,7,8-tetrahydro-1H-pyrrolo[1,2-a]azepine-8-carboxylate

Systemtic Name: propan-2-yl 3-(phenylcarbonyl)-2-propyl-5,6,7,8-tetrahydro-1H-pyrrolo[1,2-a]azepine-8-carboxylate Openeye Name: isopropyl 3-benzoyl-2-propyl-5,6,7,8-tetrahydro-1H-pyrrolo[1,2-a]azepine-8-carboxylate CAS Name: 3-benzoyl-2-propyl-5,6,7,8-tetrahydro-1H-pyrrolo[1,2-a]azepine-8-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-benzoyl-2-propyl-5,6,7,8-tetrahydro-1H-pyrrolo[1,2-a]azepine-8-carboxylate Traditional Name: 3-benzoyl-2-propyl-5,6,7,8-tetrahydro-1H-pyrrol[1,2-a]azepine-8-carboxylic acid isopropyl ester Formula: C23H29NO3 MolecularWeight: 367.48126

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N2CCCC(C=C2C1)C(=O)OC(C)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC1=C(N2CCCC(C=C2C1)C(=O)OC(C)C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H29NO3/c1-4-9-18-14-20-15-19(23(26)27-16(2)3)12-8-13-24(20)21(18)22(25)17-10-6-5-7-11-17/h5-7,10-11,15-16,19H,4,8-9,12-14H2,1-3H3