6-[3-[4-(1H-indol-4-yl)piperazin-1-yl]propoxy]-7-methoxy-3,4-dimethyl-chromen-2-one

Systemtic Name: 6-[3-[4-(1H-indol-4-yl)piperazin-1-yl]propoxy]-7-methoxy-3,4-dimethyl-chromen-2-one Openeye Name: 6-[3-[4-(1H-indol-4-yl)piperazin-1-yl]propoxy]-7-methoxy-3,4-dimethyl-chromen-2-one CAS Name: 6-[3-[4-(1H-indol-4-yl)-1-piperazinyl]propoxy]-7-methoxy-3,4-dimethyl-1-benzopyran-2-one IUPAC Name: 6-[3-[4-(1H-indol-4-yl)piperazin-1-yl]propoxy]-7-methoxy-3,4-dimethylchromen-2-one Traditional Name: 6-[3-[4-(1H-indol-4-yl)piperazino]propoxy]-7-methoxy-3,4-dimethyl-coumarin Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)OCCCN3CCN(CC3)C4=CC=CC5=C4C=CN5)OC)C

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)OCCCN3CCN(CC3)C4=CC=CC5=C4C=CN5)OC)C

InChI

InChI=1S/C27H31N3O4/c1-18-19(2)27(31)34-24-17-25(32-3)26(16-21(18)24)33-15-5-10-29-11-13-30(14-12-29)23-7-4-6-22-20(23)8-9-28-22/h4,6-9,16-17,28H,5,10-15H2,1-3H3