3-[4-(7-methoxy-6-methyl-quinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-propan-2-ylpyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide

Systemtic Name: 3-[4-(7-methoxy-6-methyl-quinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-propan-2-ylpyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide Openeye Name: 3-(1-isopropylpyrazol-3-yl)-3-[4-(7-methoxy-6-methyl-8-quinolyl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide CAS Name: 3-[4-(7-methoxy-6-methyl-8-quinolinyl)-1,4-diazepan-1-yl]-3-(1-propan-2-yl-3-pyrazolyl)-N-[2-(1-pyrrolidinyl)ethyl]propanamide IUPAC Name: 3-[4-(7-methoxy-6-methylquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-propan-2-ylpyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide Traditional Name: 3-(1-isopropylpyrazol-3-yl)-3-[4-(7-methoxy-6-methyl-8-quinolyl)-1,4-diazepan-1-yl]-N-(2-pyrrolidinoethyl)propionamide Formula: C31H45N7O2 MolecularWeight: 547.7347

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1)C=CC=N2)N3CCCN(CC3)C(CC(=O)NCCN4CCCC4)C5=NN(C=C5)C(C)C)OC

Isomeric SMILES

CC1=C(C(=C2C(=C1)C=CC=N2)N3CCCN(CC3)C(CC(=O)NCCN4CCCC4)C5=NN(C=C5)C(C)C)OC

InChI

InChI=1S/C31H45N7O2/c1-23(2)38-17-10-26(34-38)27(22-28(39)32-12-18-35-13-5-6-14-35)36-15-8-16-37(20-19-36)30-29-25(9-7-11-33-29)21-24(3)31(30)40-4/h7,9-11,17,21,23,27H,5-6,8,12-16,18-20,22H2,1-4H3,(H,32,39)