(3S)-1-(4-methylphenyl)carbonyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-3H-indol-2-one

Systemtic Name: (3S)-1-(4-methylphenyl)carbonyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-3H-indol-2-one Openeye Name: (3S)-1-(4-methylbenzoyl)-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)indolin-2-one CAS Name: (3S)-1-[(4-methylphenyl)-oxomethyl]-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-3H-indol-2-one IUPAC Name: (3S)-1-(4-methylbenzoyl)-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-3H-indol-2-one Traditional Name: (3S)-1-p-toluoyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)oxindole Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3C(C2=O)C4=NCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3[C@H](C2=O)C4=NCCCCC4

InChI

InChI=1S/C22H22N2O2/c1-15-10-12-16(13-11-15)21(25)24-19-9-5-4-7-17(19)20(22(24)26)18-8-3-2-6-14-23-18/h4-5,7,9-13,20H,2-3,6,8,14H2,1H3/t20-/m0/s1