5-[bis(azanyl)methylideneamino]-2-[(4-methylpiperidin-2-yl)amino]-N-(4-nitrophenyl)pentanamide

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[(4-methylpiperidin-2-yl)amino]-N-(4-nitrophenyl)pentanamide Openeye Name: 5-guanidino-2-[(4-methyl-2-piperidyl)amino]-N-(4-nitrophenyl)pentanamide CAS Name: 5-(diaminomethylideneamino)-2-[(4-methyl-2-piperidinyl)amino]-N-(4-nitrophenyl)pentanamide IUPAC Name: 5-(diaminomethylideneamino)-2-[(4-methylpiperidin-2-yl)amino]-N-(4-nitrophenyl)pentanamide Traditional Name: 5-guanidino-2-[(4-methyl-2-piperidyl)amino]-N-(4-nitrophenyl)valeramide Formula: C18H29N7O3 MolecularWeight: 391.46796

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCNC(C1)NC(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1CCNC(C1)NC(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H29N7O3/c1-12-8-10-21-16(11-12)24-15(3-2-9-22-18(19)20)17(26)23-13-4-6-14(7-5-13)25(27)28/h4-7,12,15-16,21,24H,2-3,8-11H2,1H3,(H,23,26)(H4,19,20,22)