(3R,5S)-1-[4-[(3S,5R)-3,5-bis(azanyl)piperidin-1-yl]phthalazin-1-yl]piperidine-3,5-diamine

Systemtic Name: (3R,5S)-1-[4-[(3S,5R)-3,5-bis(azanyl)piperidin-1-yl]phthalazin-1-yl]piperidine-3,5-diamine Openeye Name: (3R,5S)-1-[4-[(3S,5R)-3,5-diamino-1-piperidyl]phthalazin-1-yl]piperidine-3,5-diamine CAS Name: (3R,5S)-1-[4-[(3S,5R)-3,5-diamino-1-piperidinyl]-1-phthalazinyl]piperidine-3,5-diamine IUPAC Name: (3R,5S)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]phthalazin-1-yl]piperidine-3,5-diamine Traditional Name: [(3R,5S)-5-amino-1-[4-[(3S,5R)-3,5-diaminopiperidino]phthalazin-1-yl]-3-piperidyl]amine Formula: C18H28N8 MolecularWeight: 356.46852

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(CC1N)C2=NN=C(C3=CC=CC=C32)N4CC(CC(C4)N)N)N

Isomeric SMILES

C1[C@H](CN(C[C@H]1N)C2=NN=C(C3=CC=CC=C32)N4C[C@@H](C[C@@H](C4)N)N)N

InChI

InChI=1S/C18H28N8/c19-11-5-12(20)8-25(7-11)17-15-3-1-2-4-16(15)18(24-23-17)26-9-13(21)6-14(22)10-26/h1-4,11-14H,5-10,19-22H2/t11-,12+,13-,14+