4-[(2S)-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[(2S)-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[(2S)-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[(2S)-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(2S)-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[(2S)-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene]cyclohexa-2,5-dien-1-one Formula: C21H18N2O MolecularWeight: 314.38042

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC2=CC=CC=C2NC1=C3C=CC(=O)C=C3)C4=CC=CC=C4

Isomeric SMILES

C1[C@H](NC2=CC=CC=C2NC1=C3C=CC(=O)C=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N2O/c24-17-12-10-16(11-13-17)21-14-20(15-6-2-1-3-7-15)22-18-8-4-5-9-19(18)23-21/h1-13,20,22-23H,14H2/t20-/m0/s1