2-[[2-(1,3-benzodioxol-5-yl)-1,3-bis(oxidanylidene)isoquinolin-4-ylidene]methylamino]-N-propyl-benzamide

Systemtic Name: 2-[[2-(1,3-benzodioxol-5-yl)-1,3-bis(oxidanylidene)isoquinolin-4-ylidene]methylamino]-N-propyl-benzamide Openeye Name: 2-[[2-(1,3-benzodioxol-5-yl)-1,3-dioxo-4-isoquinolylidene]methylamino]-N-propyl-benzamide CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-1,3-dioxo-4-isoquinolinylidene]methylamino]-N-propylbenzamide IUPAC Name: 2-[[2-(1,3-benzodioxol-5-yl)-1,3-dioxoisoquinolin-4-ylidene]methylamino]-N-propylbenzamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-1,3-diketo-4-isoquinolylidene]methylamino]-N-propyl-benzamide Formula: C27H23N3O5 MolecularWeight: 469.48862

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=CC=C1NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCNC(=O)C1=CC=CC=C1NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H23N3O5/c1-2-13-28-25(31)20-9-5-6-10-22(20)29-15-21-18-7-3-4-8-19(18)26(32)30(27(21)33)17-11-12-23-24(14-17)35-16-34-23/h3-12,14-15,29H,2,13,16H2,1H3,(H,28,31)