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

Systemtic Name: 3-[4-[5-(3-azanylpyrrolidin-1-yl)pentyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]benzenecarboximidamide Openeye Name: 3-[4-[5-(3-aminopyrrolidin-1-yl)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzamidine CAS Name: 3-[4-[5-(3-amino-1-pyrrolidinyl)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzenecarboximidamide IUPAC Name: 3-[4-[5-(3-aminopyrrolidin-1-yl)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzenecarboximidamide Traditional Name: 3-[4-[5-(3-aminopyrrolidino)pentyl]-3-keto-1,4-benzoxazin-2-yl]benzamidine Formula: C24H31N5O2 MolecularWeight: 421.53524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N)CCCCCN2C3=CC=CC=C3OC(C2=O)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CN(CC1N)CCCCCN2C3=CC=CC=C3OC(C2=O)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C24H31N5O2/c25-19-11-14-28(16-19)12-4-1-5-13-29-20-9-2-3-10-21(20)31-22(24(29)30)17-7-6-8-18(15-17)23(26)27/h2-3,6-10,15,19,22H,1,4-5,11-14,16,25H2,(H3,26,27)