ethyl 2-methyl-2-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxy-propanoate

Systemtic Name: ethyl 2-methyl-2-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxy-propanoate Openeye Name: ethyl 2-methyl-2-[[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]-7-quinolyl]oxy]propanoate CAS Name: 2-methyl-2-[[6-methyl-8-[4-[(1-phenyl-3-pyrazolyl)methyl]-1,4-diazepan-1-yl]-7-quinolinyl]oxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-methyl-2-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoate Traditional Name: 2-methyl-2-[[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]-7-quinolyl]oxy]propionic acid ethyl ester Formula: C31H37N5O3 MolecularWeight: 527.65718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)OC1=C(C=C2C=CC=NC2=C1N3CCCN(CC3)CC4=NN(C=C4)C5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C(C)(C)OC1=C(C=C2C=CC=NC2=C1N3CCCN(CC3)CC4=NN(C=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C31H37N5O3/c1-5-38-30(37)31(3,4)39-29-23(2)21-24-11-9-15-32-27(24)28(29)35-17-10-16-34(19-20-35)22-25-14-18-36(33-25)26-12-7-6-8-13-26/h6-9,11-15,18,21H,5,10,16-17,19-20,22H2,1-4H3