(3S)-3-isocyanato-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: (3S)-3-isocyanato-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: (3S)-3-isocyanato-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: (3S)-3-isocyanato-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: (3S)-3-isocyanato-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: (3S)-3-isocyanato-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C17H13N3O2 MolecularWeight: 291.30402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)N=C=O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=CC=CC=C2C(=N[C@H](C1=O)N=C=O)C3=CC=CC=C3

InChI

InChI=1S/C17H13N3O2/c1-20-14-10-6-5-9-13(14)15(12-7-3-2-4-8-12)19-16(17(20)22)18-11-21/h2-10,16H,1H3/t16-/m1/s1