(E)-3-phenyl-1-(2,2,4-trimethyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)prop-2-en-1-one

Systemtic Name: (E)-3-phenyl-1-(2,2,4-trimethyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)prop-2-en-1-one Openeye Name: (E)-3-phenyl-1-(2,2,4-trimethyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)prop-2-en-1-one CAS Name: (E)-3-phenyl-1-(2,2,4-trimethyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-propen-1-one IUPAC Name: (E)-3-phenyl-1-(2,2,4-trimethyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)prop-2-en-1-one Traditional Name: (E)-3-phenyl-1-(2,2,4-trimethyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)prop-2-en-1-one Formula: C21H24N2O MolecularWeight: 320.42806

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(NC2=CC=CC=C2N1C(=O)C=CC3=CC=CC=C3)(C)C

Isomeric SMILES

CC1CC(NC2=CC=CC=C2N1C(=O)/C=C/C3=CC=CC=C3)(C)C

InChI

InChI=1S/C21H24N2O/c1-16-15-21(2,3)22-18-11-7-8-12-19(18)23(16)20(24)14-13-17-9-5-4-6-10-17/h4-14,16,22H,15H2,1-3H3/b14-13+