4-[(2S)-4,4-diphenyl-1,2-dihydro-3,1-benzoxazin-2-yl]-3,5-dimethyl-1H-pyrrole-2-carbonitrile

Systemtic Name: 4-[(2S)-4,4-diphenyl-1,2-dihydro-3,1-benzoxazin-2-yl]-3,5-dimethyl-1H-pyrrole-2-carbonitrile Openeye Name: 4-[(2S)-4,4-diphenyl-1,2-dihydro-3,1-benzoxazin-2-yl]-3,5-dimethyl-1H-pyrrole-2-carbonitrile CAS Name: 4-[(2S)-4,4-diphenyl-1,2-dihydro-3,1-benzoxazin-2-yl]-3,5-dimethyl-1H-pyrrole-2-carbonitrile IUPAC Name: 4-[(2S)-4,4-diphenyl-1,2-dihydro-3,1-benzoxazin-2-yl]-3,5-dimethyl-1H-pyrrole-2-carbonitrile Traditional Name: 4-[(2S)-4,4-diphenyl-1,2-dihydro-3,1-benzoxazin-2-yl]-3,5-dimethyl-1H-pyrrole-2-carbonitrile Formula: C27H23N3O MolecularWeight: 405.49102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C2NC3=CC=CC=C3C(O2)(C4=CC=CC=C4)C5=CC=CC=C5)C)C#N

Isomeric SMILES

CC1=C(NC(=C1[C@H]2NC3=CC=CC=C3C(O2)(C4=CC=CC=C4)C5=CC=CC=C5)C)C#N

InChI

InChI=1S/C27H23N3O/c1-18-24(17-28)29-19(2)25(18)26-30-23-16-10-9-15-22(23)27(31-26,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-16,26,29-30H,1-2H3/t26-/m0/s1