N-[2-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2-(1-phenylpyrazol-3-yl)ethyl]methanesulfonamide

Systemtic Name: N-[2-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2-(1-phenylpyrazol-3-yl)ethyl]methanesulfonamide Openeye Name: N-[2-[4-(7-methoxy-8-quinolyl)-1,4-diazepan-1-yl]-2-(1-phenylpyrazol-3-yl)ethyl]methanesulfonamide CAS Name: N-[2-[4-(7-methoxy-8-quinolinyl)-1,4-diazepan-1-yl]-2-(1-phenyl-3-pyrazolyl)ethyl]methanesulfonamide IUPAC Name: N-[2-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2-(1-phenylpyrazol-3-yl)ethyl]methanesulfonamide Traditional Name: N-[2-[4-(7-methoxy-8-quinolyl)-1,4-diazepan-1-yl]-2-(1-phenylpyrazol-3-yl)ethyl]methanesulfonamide Formula: C27H32N6O3S MolecularWeight: 520.64638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=CC=N2)C=C1)N3CCCN(CC3)C(CNS(=O)(=O)C)C4=NN(C=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C2=C(C=CC=N2)C=C1)N3CCCN(CC3)C(CNS(=O)(=O)C)C4=NN(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H32N6O3S/c1-36-25-12-11-21-8-6-14-28-26(21)27(25)32-16-7-15-31(18-19-32)24(20-29-37(2,34)35)23-13-17-33(30-23)22-9-4-3-5-10-22/h3-6,8-14,17,24,29H,7,15-16,18-20H2,1-2H3