4-tert-butyl-N-[2-[[2-[3-(dimethylamino)prop-1-ynyl]pyridin-4-yl]methylamino]pyridin-3-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-[[2-[3-(dimethylamino)prop-1-ynyl]pyridin-4-yl]methylamino]pyridin-3-yl]benzamide Openeye Name: 4-tert-butyl-N-[2-[[2-[3-(dimethylamino)prop-1-ynyl]-4-pyridyl]methylamino]-3-pyridyl]benzamide CAS Name: 4-tert-butyl-N-[2-[[2-[3-(dimethylamino)prop-1-ynyl]-4-pyridinyl]methylamino]-3-pyridinyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-[[2-[3-(dimethylamino)prop-1-ynyl]pyridin-4-yl]methylamino]pyridin-3-yl]benzamide Traditional Name: 4-tert-butyl-N-[2-[[2-[3-(dimethylamino)prop-1-ynyl]-4-pyridyl]methylamino]-3-pyridyl]benzamide Formula: C27H31N5O MolecularWeight: 441.56794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(N=CC=C2)NCC3=CC(=NC=C3)C#CCN(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(N=CC=C2)NCC3=CC(=NC=C3)C#CCN(C)C

InChI

InChI=1S/C27H31N5O/c1-27(2,3)22-12-10-21(11-13-22)26(33)31-24-9-6-15-29-25(24)30-19-20-14-16-28-23(18-20)8-7-17-32(4)5/h6,9-16,18H,17,19H2,1-5H3,(H,29,30)(H,31,33)