(3R)-3-(1H-indol-3-ylmethyl)-N-methyl-5-[2-(methylamino)phenyl]-3H-1,4-benzodiazepin-2-amine

Systemtic Name: (3R)-3-(1H-indol-3-ylmethyl)-N-methyl-5-[2-(methylamino)phenyl]-3H-1,4-benzodiazepin-2-amine Openeye Name: (3R)-3-(1H-indol-3-ylmethyl)-N-methyl-5-[2-(methylamino)phenyl]-3H-1,4-benzodiazepin-2-amine CAS Name: (3R)-3-(1H-indol-3-ylmethyl)-N-methyl-5-[2-(methylamino)phenyl]-3H-1,4-benzodiazepin-2-amine IUPAC Name: (3R)-3-(1H-indol-3-ylmethyl)-N-methyl-5-[2-(methylamino)phenyl]-3H-1,4-benzodiazepin-2-amine Traditional Name: [2-[(3R)-3-(1H-indol-3-ylmethyl)-2-(methylamino)-3H-1,4-benzodiazepin-5-yl]phenyl]-methyl-amine Formula: C26H25N5 MolecularWeight: 407.5102

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC=C1C2=NC(C(=NC3=CC=CC=C32)NC)CC4=CNC5=CC=CC=C54

Isomeric SMILES

CNC1=CC=CC=C1C2=N[C@@H](C(=NC3=CC=CC=C32)NC)CC4=CNC5=CC=CC=C54

InChI

InChI=1S/C26H25N5/c1-27-21-12-6-4-10-19(21)25-20-11-5-8-14-23(20)31-26(28-2)24(30-25)15-17-16-29-22-13-7-3-9-18(17)22/h3-14,16,24,27,29H,15H2,1-2H3,(H,28,31)/t24-/m1/s1