3-[(4-bromophenyl)-piperidin-1-yl-methyl]-2-methyl-5-nitro-1H-indole

Systemtic Name: 3-[(4-bromophenyl)-piperidin-1-yl-methyl]-2-methyl-5-nitro-1H-indole Openeye Name: 3-[(4-bromophenyl)-(1-piperidyl)methyl]-2-methyl-5-nitro-1H-indole CAS Name: 3-[(4-bromophenyl)-(1-piperidinyl)methyl]-2-methyl-5-nitro-1H-indole IUPAC Name: 3-[(4-bromophenyl)-piperidin-1-ylmethyl]-2-methyl-5-nitro-1H-indole Traditional Name: 3-[(4-bromophenyl)-piperidino-methyl]-2-methyl-5-nitro-1H-indole Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)[N+](=O)[O-])C(C3=CC=C(C=C3)Br)N4CCCCC4

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)[N+](=O)[O-])C(C3=CC=C(C=C3)Br)N4CCCCC4

InChI

InChI=1S/C21H22BrN3O2/c1-14-20(18-13-17(25(26)27)9-10-19(18)23-14)21(24-11-3-2-4-12-24)15-5-7-16(22)8-6-15/h5-10,13,21,23H,2-4,11-12H2,1H3