ethyl 3-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: ethyl 3-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: ethyl 3-[(4-benzhydrylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxylate CAS Name: 3-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-4-oxo-1H-quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-benzhydrylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxylate Traditional Name: 3-[(4-benzhydrylpiperazino)methyl]-4-keto-1H-quinoline-2-carboxylic acid ethyl ester Formula: C30H31N3O3 MolecularWeight: 481.58544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H31N3O3/c1-2-36-30(35)27-25(29(34)24-15-9-10-16-26(24)31-27)21-32-17-19-33(20-18-32)28(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-16,28H,2,17-21H2,1H3,(H,31,34)