[6-[cyclopropylmethyl(propyl)amino]pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone

Systemtic Name: [6-[cyclopropylmethyl(propyl)amino]pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: [6-[cyclopropylmethyl(propyl)amino]-3-pyridyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone CAS Name: [6-[cyclopropylmethyl(propyl)amino]-3-pyridinyl]-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [6-[cyclopropylmethyl(propyl)amino]pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: [6-[cyclopropylmethyl(propyl)amino]-3-pyridyl]-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]methanone Formula: C22H30N6O MolecularWeight: 394.5132

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1CC1)C2=NC=C(C=C2)C(=O)N3CCCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCCN(CC1CC1)C2=NC=C(C=C2)C(=O)N3CCCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H30N6O/c1-2-11-28(17-18-5-6-18)20-8-7-19(16-25-20)21(29)26-12-4-13-27(15-14-26)22-23-9-3-10-24-22/h3,7-10,16,18H,2,4-6,11-15,17H2,1H3