[4-[3,6-bis(prop-2-ynylamino)pyridin-2-yl]piperazin-1-yl]-pyrrolidin-2-yl-methanone

Systemtic Name: [4-[3,6-bis(prop-2-ynylamino)pyridin-2-yl]piperazin-1-yl]-pyrrolidin-2-yl-methanone Openeye Name: [4-[3,6-bis(prop-2-ynylamino)-2-pyridyl]piperazin-1-yl]-pyrrolidin-2-yl-methanone CAS Name: [4-[3,6-bis(prop-2-ynylamino)-2-pyridinyl]-1-piperazinyl]-(2-pyrrolidinyl)methanone IUPAC Name: [4-[3,6-bis(prop-2-ynylamino)pyridin-2-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone Traditional Name: [4-[3,6-bis(propargylamino)-2-pyridyl]piperazino]-pyrrolidin-2-yl-methanone Formula: C20H26N6O MolecularWeight: 366.46004

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=C(N=C(C=C1)NCC#C)N2CCN(CC2)C(=O)C3CCCN3

Isomeric SMILES

C#CCNC1=C(N=C(C=C1)NCC#C)N2CCN(CC2)C(=O)C3CCCN3

InChI

InChI=1S/C20H26N6O/c1-3-9-21-16-7-8-18(23-10-4-2)24-19(16)25-12-14-26(15-13-25)20(27)17-6-5-11-22-17/h1-2,7-8,17,21-22H,5-6,9-15H2,(H,23,24)