N-[5-(diethylamino)pentan-2-yl]-3-[(E)-2-(5-nitrofuran-2-yl)ethenyl]isoquinoline-4-carboxamide

Systemtic Name: N-[5-(diethylamino)pentan-2-yl]-3-[(E)-2-(5-nitrofuran-2-yl)ethenyl]isoquinoline-4-carboxamide Openeye Name: N-[4-(diethylamino)-1-methyl-butyl]-3-[(E)-2-(5-nitro-2-furyl)vinyl]isoquinoline-4-carboxamide CAS Name: N-[5-(diethylamino)pentan-2-yl]-3-[(E)-2-(5-nitro-2-furanyl)ethenyl]-4-isoquinolinecarboxamide IUPAC Name: N-[5-(diethylamino)pentan-2-yl]-3-[(E)-2-(5-nitrofuran-2-yl)ethenyl]isoquinoline-4-carboxamide Traditional Name: N-[4-(diethylamino)-1-methyl-butyl]-3-[(E)-2-(5-nitro-2-furyl)vinyl]isoquinoline-4-carboxamide Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC(=O)C1=C(N=CC2=CC=CC=C21)C=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCCC(C)NC(=O)C1=C(N=CC2=CC=CC=C21)/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C25H30N4O4/c1-4-28(5-2)16-8-9-18(3)27-25(30)24-21-11-7-6-10-19(21)17-26-22(24)14-12-20-13-15-23(33-20)29(31)32/h6-7,10-15,17-18H,4-5,8-9,16H2,1-3H3,(H,27,30)/b14-12+