N4-cyclopentyl-N2-[2-[2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]ethyl]quinazoline-2,4-diamine

Systemtic Name: N4-cyclopentyl-N2-[2-[2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]ethyl]quinazoline-2,4-diamine Openeye Name: N4-cyclopentyl-N2-[2-[2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]ethyl]quinazoline-2,4-diamine CAS Name: N4-cyclopentyl-N2-[2-[2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]ethyl]quinazoline-2,4-diamine IUPAC Name: 4-N-cyclopentyl-2-N-[2-[2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]ethyl]quinazoline-2,4-diamine Traditional Name: cyclopentyl-[2-[2-[2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]ethylamino]quinazolin-4-yl]amine Formula: C31H33N5O2 MolecularWeight: 507.62602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C3=CC=CC=C3N2)CCNC4=NC5=CC=CC=C5C(=N4)NC6CCCC6)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C3=CC=CC=C3N2)CCNC4=NC5=CC=CC=C5C(=N4)NC6CCCC6)OC

InChI

InChI=1S/C31H33N5O2/c1-37-27-16-15-20(19-28(27)38-2)29-23(22-11-5-7-13-25(22)34-29)17-18-32-31-35-26-14-8-6-12-24(26)30(36-31)33-21-9-3-4-10-21/h5-8,11-16,19,21,34H,3-4,9-10,17-18H2,1-2H3,(H2,32,33,35,36)