2-[4-[1-(azepan-3-yl)propoxy]-3-methoxy-phenyl]-5-phenoxy-isoindole-1,3-dione

Systemtic Name: 2-[4-[1-(azepan-3-yl)propoxy]-3-methoxy-phenyl]-5-phenoxy-isoindole-1,3-dione Openeye Name: 2-[4-[1-(azepan-3-yl)propoxy]-3-methoxy-phenyl]-5-phenoxy-isoindoline-1,3-dione CAS Name: 2-[4-[1-(3-azepanyl)propoxy]-3-methoxyphenyl]-5-phenoxyisoindole-1,3-dione IUPAC Name: 2-[4-[1-(azepan-3-yl)propoxy]-3-methoxyphenyl]-5-phenoxyisoindole-1,3-dione Traditional Name: 2-[4-[1-(azepan-3-yl)propoxy]-3-methoxy-phenyl]-5-phenoxy-isoindoline-1,3-quinone Formula: C30H32N2O5 MolecularWeight: 500.58548

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCCNC1)OC2=C(C=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)OC5=CC=CC=C5)OC

Isomeric SMILES

CCC(C1CCCCNC1)OC2=C(C=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)OC5=CC=CC=C5)OC

InChI

InChI=1S/C30H32N2O5/c1-3-26(20-9-7-8-16-31-19-20)37-27-15-12-21(17-28(27)35-2)32-29(33)24-14-13-23(18-25(24)30(32)34)36-22-10-5-4-6-11-22/h4-6,10-15,17-18,20,26,31H,3,7-9,16,19H2,1-2H3