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

Systemtic Name: [2-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2-(1-phenylpyrazol-3-yl)ethyl] carbamate Openeye Name: [2-[4-(7-methoxy-8-quinolyl)-1,4-diazepan-1-yl]-2-(1-phenylpyrazol-3-yl)ethyl] carbamate CAS Name: carbamic acid [2-[4-(7-methoxy-8-quinolinyl)-1,4-diazepan-1-yl]-2-(1-phenyl-3-pyrazolyl)ethyl] ester IUPAC Name: [2-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2-(1-phenylpyrazol-3-yl)ethyl] carbamate Traditional Name: carbamic acid [2-[4-(7-methoxy-8-quinolyl)-1,4-diazepan-1-yl]-2-(1-phenylpyrazol-3-yl)ethyl] ester Formula: C27H30N6O3 MolecularWeight: 486.5655

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N6O3/c1-35-24-11-10-20-7-5-13-29-25(20)26(24)32-15-6-14-31(17-18-32)23(19-36-27(28)34)22-12-16-33(30-22)21-8-3-2-4-9-21/h2-5,7-13,16,23H,6,14-15,17-19H2,1H3,(H2,28,34)