N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(pyrrolidin-3-ylamino)methyl]benzamide

Systemtic Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(pyrrolidin-3-ylamino)methyl]benzamide Openeye Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-[(pyrrolidin-3-ylamino)methyl]benzamide CAS Name: N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-4-[(3-pyrrolidinylamino)methyl]benzamide IUPAC Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(pyrrolidin-3-ylamino)methyl]benzamide Traditional Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-[(pyrrolidin-3-ylamino)methyl]benzamide Formula: C28H29N7O MolecularWeight: 479.57616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CNC3CCNC3)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CNC3CCNC3)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C28H29N7O/c1-19-4-9-23(15-26(19)35-28-31-14-11-25(34-28)22-3-2-12-29-17-22)33-27(36)21-7-5-20(6-8-21)16-32-24-10-13-30-18-24/h2-9,11-12,14-15,17,24,30,32H,10,13,16,18H2,1H3,(H,33,36)(H,31,34,35)