7-(isocyanatomethyl)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 7-(isocyanatomethyl)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 7-(isocyanatomethyl)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 7-(isocyanatomethyl)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-(isocyanatomethyl)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 7-(isocyanatomethyl)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C18H15N3O2 MolecularWeight: 305.3306

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=C1C=CC(=C2)CN=C=O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=O)CN=C(C2=C1C=CC(=C2)CN=C=O)C3=CC=CC=C3

InChI

InChI=1S/C18H15N3O2/c1-21-16-8-7-13(10-19-12-22)9-15(16)18(20-11-17(21)23)14-5-3-2-4-6-14/h2-9H,10-11H2,1H3