2-dimethylaminoethyl 1-[7-acetamido-5,8-bis(oxidanylidene)quinolin-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: 2-dimethylaminoethyl 1-[7-acetamido-5,8-bis(oxidanylidene)quinolin-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: 2-dimethylaminoethyl 1-(7-acetamido-5,8-dioxo-2-quinolyl)-9H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 1-(7-acetamido-5,8-dioxo-2-quinolinyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 1-(7-acetamido-5,8-dioxoquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 1-(7-acetamido-5,8-diketo-2-quinolyl)-9H-$b-carboline-3-carboxylic acid 2-dimethylaminoethyl ester Formula: C27H23N5O5 MolecularWeight: 497.50202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=O)C2=C(C1=O)N=C(C=C2)C3=C4C(=CC(=N3)C(=O)OCCN(C)C)C5=CC=CC=C5N4

Isomeric SMILES

CC(=O)NC1=CC(=O)C2=C(C1=O)N=C(C=C2)C3=C4C(=CC(=N3)C(=O)OCCN(C)C)C5=CC=CC=C5N4

InChI

InChI=1S/C27H23N5O5/c1-14(33)28-20-13-22(34)16-8-9-19(30-24(16)26(20)35)25-23-17(15-6-4-5-7-18(15)29-23)12-21(31-25)27(36)37-11-10-32(2)3/h4-9,12-13,29H,10-11H2,1-3H3,(H,28,33)