1-[4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoyl-prop-2-enyl-amino]-N-phenyl-cyclopentane-1-carboxamide

Systemtic Name: 1-[4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoyl-prop-2-enyl-amino]-N-phenyl-cyclopentane-1-carboxamide Openeye Name: 1-[allyl-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoyl]amino]-N-phenyl-cyclopentanecarboxamide CAS Name: 1-[[4-(1,3-dioxo-2-benzo[de]isoquinolinyl)-1-oxobutyl]-prop-2-enylamino]-N-phenyl-1-cyclopentanecarboxamide IUPAC Name: 1-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoyl-prop-2-enylamino]-N-phenylcyclopentane-1-carboxamide Traditional Name: 1-[allyl-[4-(1,3-diketobenzo[de]isoquinolin-2-yl)butanoyl]amino]-N-phenyl-cyclopentanecarboxamide Formula: C31H31N3O4 MolecularWeight: 509.59554

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C(=O)CCCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O)C4(CCCC4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C=CCN(C(=O)CCCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O)C4(CCCC4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C31H31N3O4/c1-2-20-34(31(18-6-7-19-31)30(38)32-23-13-4-3-5-14-23)26(35)17-10-21-33-28(36)24-15-8-11-22-12-9-16-25(27(22)24)29(33)37/h2-5,8-9,11-16H,1,6-7,10,17-21H2,(H,32,38)