(1,5-dimethyl-2-phenyl-indol-3-yl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone hydrochloride

Systemtic Name: (1,5-dimethyl-2-phenyl-indol-3-yl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone hydrochloride Openeye Name: (1,5-dimethyl-2-phenyl-indol-3-yl)-[4-(2-pyridyl)-1,4-diazepan-1-yl]methanone hydrochloride CAS Name: (1,5-dimethyl-2-phenyl-3-indolyl)-[4-(2-pyridinyl)-1,4-diazepan-1-yl]methanone hydrochloride IUPAC Name: (1,5-dimethyl-2-phenylindol-3-yl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone hydrochloride Traditional Name: (1,5-dimethyl-2-phenyl-indol-3-yl)-[4-(2-pyridyl)-1,4-diazepan-1-yl]methanone hydrochloride Formula: C27H29ClN4O MolecularWeight: 460.99836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2C(=O)N3CCCN(CC3)C4=CC=CC=N4)C5=CC=CC=C5)C.Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C(=O)N3CCCN(CC3)C4=CC=CC=N4)C5=CC=CC=C5)C.Cl

InChI

InChI=1S/C27H28N4O.ClH/c1-20-12-13-23-22(19-20)25(26(29(23)2)21-9-4-3-5-10-21)27(32)31-16-8-15-30(17-18-31)24-11-6-7-14-28-24;/h3-7,9-14,19H,8,15-18H2,1-2H3;1H