3-[4-[5-(3-azanylpyrrolidin-1-yl)pentyl]-3-oxidanylidene-quinoxalin-2-yl]benzenecarboximidamide

Systemtic Name: 3-[4-[5-(3-azanylpyrrolidin-1-yl)pentyl]-3-oxidanylidene-quinoxalin-2-yl]benzenecarboximidamide Openeye Name: 3-[4-[5-(3-aminopyrrolidin-1-yl)pentyl]-3-oxo-quinoxalin-2-yl]benzamidine CAS Name: 3-[4-[5-(3-amino-1-pyrrolidinyl)pentyl]-3-oxo-2-quinoxalinyl]benzenecarboximidamide IUPAC Name: 3-[4-[5-(3-aminopyrrolidin-1-yl)pentyl]-3-oxoquinoxalin-2-yl]benzenecarboximidamide Traditional Name: 3-[4-[5-(3-aminopyrrolidino)pentyl]-3-keto-quinoxalin-2-yl]benzamidine Formula: C24H30N6O MolecularWeight: 418.5346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N)CCCCCN2C3=CC=CC=C3N=C(C2=O)C4=CC(=CC=C4)C(=N)N

Isomeric SMILES

C1CN(CC1N)CCCCCN2C3=CC=CC=C3N=C(C2=O)C4=CC(=CC=C4)C(=N)N

InChI

InChI=1S/C24H30N6O/c25-19-11-14-29(16-19)12-4-1-5-13-30-21-10-3-2-9-20(21)28-22(24(30)31)17-7-6-8-18(15-17)23(26)27/h2-3,6-10,15,19H,1,4-5,11-14,16,25H2,(H3,26,27)