4-[bis(azanyl)methylideneamino]-N-[1-oxidanylidene-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: 4-[bis(azanyl)methylideneamino]-N-[1-oxidanylidene-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide Openeye Name: 4-guanidino-N-[3-phenyl-1-(3-quinolylcarbamoyl)propyl]pyrrolidine-2-carboxamide CAS Name: 4-(diaminomethylideneamino)-N-[1-oxo-4-phenyl-1-(3-quinolinylamino)butan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 4-(diaminomethylideneamino)-N-[1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide Traditional Name: 4-guanidino-N-[3-phenyl-1-(3-quinolylcarbamoyl)propyl]pyrrolidine-2-carboxamide Formula: C25H29N7O2 MolecularWeight: 459.54346

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1C(=O)NC(CCC2=CC=CC=C2)C(=O)NC3=CC4=CC=CC=C4N=C3)N=C(N)N

Isomeric SMILES

C1C(CNC1C(=O)NC(CCC2=CC=CC=C2)C(=O)NC3=CC4=CC=CC=C4N=C3)N=C(N)N

InChI

InChI=1S/C25H29N7O2/c26-25(27)31-19-13-22(29-15-19)24(34)32-21(11-10-16-6-2-1-3-7-16)23(33)30-18-12-17-8-4-5-9-20(17)28-14-18/h1-9,12,14,19,21-22,29H,10-11,13,15H2,(H,30,33)(H,32,34)(H4,26,27,31)