N-[1-[bis(2-hydroxyethyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]quinoline-3-carboxamide

Systemtic Name: N-[1-[bis(2-hydroxyethyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]quinoline-3-carboxamide Openeye Name: N-[2-[bis(2-hydroxyethyl)amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]quinoline-3-carboxamide CAS Name: N-[1-[bis(2-hydroxyethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-quinolinecarboxamide IUPAC Name: N-[1-[bis(2-hydroxyethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide Traditional Name: N-[2-[bis(2-hydroxyethyl)amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]quinoline-3-carboxamide Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N(CCO)CCO

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N(CCO)CCO

InChI

InChI=1S/C25H26N4O4/c30-11-9-29(10-12-31)25(33)23(14-18-15-27-22-8-4-2-6-20(18)22)28-24(32)19-13-17-5-1-3-7-21(17)26-16-19/h1-8,13,15-16,23,27,30-31H,9-12,14H2,(H,28,32)