3-[2-[4-[3,6-bis(prop-2-ynylamino)pyridin-2-yl]piperazin-1-yl]carbonylpyrrolidin-1-yl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[2-[4-[3,6-bis(prop-2-ynylamino)pyridin-2-yl]piperazin-1-yl]carbonylpyrrolidin-1-yl]-3-oxidanylidene-propanenitrile Openeye Name: 3-[2-[4-[3,6-bis(prop-2-ynylamino)-2-pyridyl]piperazine-1-carbonyl]pyrrolidin-1-yl]-3-oxo-propanenitrile CAS Name: 3-[2-[[4-[3,6-bis(prop-2-ynylamino)-2-pyridinyl]-1-piperazinyl]-oxomethyl]-1-pyrrolidinyl]-3-oxopropanenitrile IUPAC Name: 3-[2-[4-[3,6-bis(prop-2-ynylamino)pyridin-2-yl]piperazine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropanenitrile Traditional Name: 3-[2-[4-[3,6-bis(propargylamino)-2-pyridyl]piperazine-1-carbonyl]pyrrolidino]-3-keto-propionitrile Formula: C23H27N7O2 MolecularWeight: 433.50618

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=C(N=C(C=C1)NCC#C)N2CCN(CC2)C(=O)C3CCCN3C(=O)CC#N

Isomeric SMILES

C#CCNC1=C(N=C(C=C1)NCC#C)N2CCN(CC2)C(=O)C3CCCN3C(=O)CC#N

InChI

InChI=1S/C23H27N7O2/c1-3-11-25-18-7-8-20(26-12-4-2)27-22(18)28-14-16-29(17-15-28)23(32)19-6-5-13-30(19)21(31)9-10-24/h1-2,7-8,19,25H,5-6,9,11-17H2,(H,26,27)