3-[2-chloranyl-7-[(4-methylpiperazin-1-yl)methyl]naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

Systemtic Name: 3-[2-chloranyl-7-[(4-methylpiperazin-1-yl)methyl]naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione Openeye Name: 3-[2-chloro-7-[(4-methylpiperazin-1-yl)methyl]-1-naphthyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione CAS Name: 3-[2-chloro-7-[(4-methyl-1-piperazinyl)methyl]-1-naphthalenyl]-4-(1-methyl-3-indolyl)pyrrole-2,5-dione IUPAC Name: 3-[2-chloro-7-[(4-methylpiperazin-1-yl)methyl]naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione Traditional Name: 3-[2-chloro-7-[(4-methylpiperazino)methyl]-1-naphthyl]-4-(1-methylindol-3-yl)-3-pyrroline-2,5-quinone Formula: C29H27ClN4O2 MolecularWeight: 499.00328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC3=C(C=C2)C=CC(=C3C4=C(C(=O)NC4=O)C5=CN(C6=CC=CC=C65)C)Cl

Isomeric SMILES

CN1CCN(CC1)CC2=CC3=C(C=C2)C=CC(=C3C4=C(C(=O)NC4=O)C5=CN(C6=CC=CC=C65)C)Cl

InChI

InChI=1S/C29H27ClN4O2/c1-32-11-13-34(14-12-32)16-18-7-8-19-9-10-23(30)25(21(19)15-18)27-26(28(35)31-29(27)36)22-17-33(2)24-6-4-3-5-20(22)24/h3-10,15,17H,11-14,16H2,1-2H3,(H,31,35,36)