2-(1,3-benzodioxol-5-ylmethyl)-4-[[(4-butylphenyl)amino]methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[[(4-butylphenyl)amino]methylidene]isoquinoline-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-butylanilino)methylene]isoquinoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-butylanilino)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-butylanilino)methylidene]isoquinoline-1,3-dione Traditional Name: 4-[(4-butylanilino)methylene]-2-piperonyl-isoquinoline-1,3-quinone Formula: C28H26N2O4 MolecularWeight: 454.51704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H26N2O4/c1-2-3-6-19-9-12-21(13-10-19)29-16-24-22-7-4-5-8-23(22)27(31)30(28(24)32)17-20-11-14-25-26(15-20)34-18-33-25/h4-5,7-16,29H,2-3,6,17-18H2,1H3