9-(4-tert-butylphenyl)-N-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]azepine-8-carboxamide

Systemtic Name: 9-(4-tert-butylphenyl)-N-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]azepine-8-carboxamide Openeye Name: 9-(4-tert-butylphenyl)-N-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]azepine-8-carboxamide CAS Name: 9-(4-tert-butylphenyl)-N-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]azepine-8-carboxamide IUPAC Name: 9-(4-tert-butylphenyl)-N-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]azepine-8-carboxamide Traditional Name: 9-(4-tert-butylphenyl)-N-(4-chlorophenyl)-6,7-dihydro-5H-pyrrol[1,2-a]azepine-8-carboxamide Formula: C26H27ClN2O MolecularWeight: 418.95838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(CCCN3C2=CC=C3)C(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(CCCN3C2=CC=C3)C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H27ClN2O/c1-26(2,3)19-10-8-18(9-11-19)24-22(6-4-16-29-17-5-7-23(24)29)25(30)28-21-14-12-20(27)13-15-21/h5,7-15,17H,4,6,16H2,1-3H3,(H,28,30)