3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)propan-1-ol

Systemtic Name: 3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)propan-1-ol Openeye Name: 3-[4-(7-methoxy-8-quinolyl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)propan-1-ol CAS Name: 3-[4-(7-methoxy-8-quinolinyl)-1,4-diazepan-1-yl]-3-(1-phenyl-3-pyrazolyl)-1-propanol IUPAC Name: 3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)propan-1-ol Traditional Name: 3-[4-(7-methoxy-8-quinolyl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)propan-1-ol Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N5O2/c1-34-25-11-10-21-7-5-14-28-26(21)27(25)31-16-6-15-30(18-19-31)24(13-20-33)23-12-17-32(29-23)22-8-3-2-4-9-22/h2-5,7-12,14,17,24,33H,6,13,15-16,18-20H2,1H3