(4Z)-4-[(5S)-5-ethyl-7,8-dimethoxy-4-methyl-2,5-dihydro-2,3-benzodiazepin-1-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: (4Z)-4-[(5S)-5-ethyl-7,8-dimethoxy-4-methyl-2,5-dihydro-2,3-benzodiazepin-1-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-4-[(5S)-5-ethyl-7,8-dimethoxy-4-methyl-2,5-dihydro-2,3-benzodiazepin-1-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one CAS Name: (4Z)-4-[(5S)-5-ethyl-7,8-dimethoxy-4-methyl-2,5-dihydro-2,3-benzodiazepin-1-ylidene]-2-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-4-[(5S)-5-ethyl-7,8-dimethoxy-4-methyl-2,5-dihydro-2,3-benzodiazepin-1-ylidene]-2-methoxycyclohexa-2,5-dien-1-one Traditional Name: (4Z)-4-[(5S)-5-ethyl-7,8-dimethoxy-4-methyl-2,5-dihydro-2,3-benzodiazepin-1-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=NNC(=C2C=CC(=O)C(=C2)OC)C3=CC(=C(C=C13)OC)OC)C

Isomeric SMILES

CC[C@@H]1C(=NN/C(=C\2/C=CC(=O)C(=C2)OC)/C3=CC(=C(C=C13)OC)OC)C

InChI

InChI=1S/C21H24N2O4/c1-6-14-12(2)22-23-21(13-7-8-17(24)18(9-13)25-3)16-11-20(27-5)19(26-4)10-15(14)16/h7-11,14,23H,6H2,1-5H3/b21-13-/t14-/m1/s1