N-methyl-1-(4-methyl-8-nitro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl)methanamine

Systemtic Name: N-methyl-1-(4-methyl-8-nitro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl)methanamine Openeye Name: N-methyl-1-(4-methyl-8-nitro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl)methanamine CAS Name: N-methyl-1-(4-methyl-8-nitro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl)methanamine IUPAC Name: N-methyl-1-(4-methyl-8-nitro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl)methanamine Traditional Name: methyl-[(4-methyl-8-nitro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl)methyl]amine Formula: C20H19N5O2 MolecularWeight: 361.39716

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=NC=C(N2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N1)C4=CC=CC=C4)CNC

Isomeric SMILES

CC1C2=NC=C(N2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N1)C4=CC=CC=C4)CNC

InChI

InChI=1S/C20H19N5O2/c1-13-20-22-12-16(11-21-2)24(20)18-9-8-15(25(26)27)10-17(18)19(23-13)14-6-4-3-5-7-14/h3-10,12-13,21H,11H2,1-2H3