(6E)-4-bromanyl-6-[(4E)-4-(1-propan-2-yl-2H-indazol-3-ylidene)-1,5-benzodiazepin-2-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-4-bromanyl-6-[(4E)-4-(1-propan-2-yl-2H-indazol-3-ylidene)-1,5-benzodiazepin-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-4-bromo-6-[(4E)-4-(1-isopropyl-2H-indazol-3-ylidene)-1,5-benzodiazepin-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-4-bromo-6-[(4E)-4-(1-propan-2-yl-2H-indazol-3-ylidene)-1,5-benzodiazepin-2-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-4-bromo-6-[(4E)-4-(1-propan-2-yl-2H-indazol-3-ylidene)-1,5-benzodiazepin-2-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-4-bromo-6-[(4E)-4-(1-isopropylindazolin-3-ylidene)-1,5-benzodiazepin-2-ylidene]cyclohexa-2,4-dien-1-one Formula: C25H21BrN4O MolecularWeight: 473.36444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2C(=C3CC(=C4C=C(C=CC4=O)Br)N=C5C=CC=CC5=N3)N1

Isomeric SMILES

CC(C)N1C2=CC=CC=C2/C(=C\3/C/C(=C\4/C=C(C=CC4=O)Br)/N=C5C=CC=CC5=N3)/N1

InChI

InChI=1S/C25H21BrN4O/c1-15(2)30-23-10-6-3-7-17(23)25(29-30)22-14-21(18-13-16(26)11-12-24(18)31)27-19-8-4-5-9-20(19)28-22/h3-13,15,29H,14H2,1-2H3/b21-18+,25-22+