methyl 4-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxybutanoate

Systemtic Name: methyl 4-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxybutanoate Openeye Name: methyl 4-[[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]-7-quinolyl]oxy]butanoate CAS Name: 4-[[6-methyl-8-[4-[(1-phenyl-3-pyrazolyl)methyl]-1,4-diazepan-1-yl]-7-quinolinyl]oxy]butanoic acid methyl ester IUPAC Name: methyl 4-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxybutanoate Traditional Name: 4-[[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]-7-quinolyl]oxy]butyric acid methyl ester Formula: C30H35N5O3 MolecularWeight: 513.6306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1)C=CC=N2)N3CCCN(CC3)CC4=NN(C=C4)C5=CC=CC=C5)OCCCC(=O)OC

Isomeric SMILES

CC1=C(C(=C2C(=C1)C=CC=N2)N3CCCN(CC3)CC4=NN(C=C4)C5=CC=CC=C5)OCCCC(=O)OC

InChI

InChI=1S/C30H35N5O3/c1-23-21-24-9-6-14-31-28(24)29(30(23)38-20-7-12-27(36)37-2)34-16-8-15-33(18-19-34)22-25-13-17-35(32-25)26-10-4-3-5-11-26/h3-6,9-11,13-14,17,21H,7-8,12,15-16,18-20,22H2,1-2H3